Package etomica.virial

Class BnPYLJ

java.lang.Object

etomica.virial.BnPYLJ

public class BnPYLJ
extends java.lang.Object

This is just a main method for PercusYevick.java. It creates a discretization of the Lennard-Jones Mayer function, which PercusYevick then employs to compute Percus-Yevick approximations of the virial coefficients up to mth order. The second and third coefficients are fully accurate (the PY approximation is exact). Use the setRoute() method in PercusYevick to select whether the compressibility-route or virial-route approximation is used.

Constructor Summary

Constructors

Constructor	Description
BnPYLJ()

Method Summary

Modifier and Type	Method	Description
static double[]	getfr(int N, double del_r, double reducedTemp)
static double[]	getrdfdr(int N, double del_r, double reducedTemp)
static void	main(java.lang.String[] args)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

BnPYLJ

public BnPYLJ()

Method Detail

main

public static void main(java.lang.String[] args)

getfr

public static double[] getfr(int N,
                             double del_r,
                             double reducedTemp)

getrdfdr

public static double[] getrdfdr(int N,
                                double del_r,
                                double reducedTemp)